N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide

C17H18N4O2 — CID 50956664

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCN(CC1Cc2ccccc2O1)C(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C17H18N4O2/c1-19-7-8-21-16(19)14(10-18-21)17(22)20(2)11-13-9-12-5-3-4-6-15(12)23-13/h3-8,10,13H,9,11H2,1-2H3
InChIKeyCGFGMGDYUAHQCT-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.75
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 50956664) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID50956664
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCN(CC1Cc2ccccc2O1)C(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C17H18N4O2/c1-19-7-8-21-16(19)14(10-18-21)17(22)20(2)11-13-9-12-5-3-4-6-15(12)23-13/h3-8,10,13H,9,11H2,1-2H3
InChIKeyCGFGMGDYUAHQCT-UHFFFAOYSA-N
XLogP1.75
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide (CID 50956664) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide is CN(CC1Cc2ccccc2O1)C(=O)c1cnn2ccn(C)c12.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is CGFGMGDYUAHQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-19-7-8-21-16(19)14(10-18-21)17(22)20(2)11-13-9-12-5-3-4-6-15(12)23-13/h3-8,10,13H,9,11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 50956664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).